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(2E)-3-(2-Chloro-6-methoxyquinolin-3-yl)-1-(5-bromothien-2-yl)prop-2-en-1-one
SpectraBase Compound ID 6Tj5P9Eaz3K
InChI InChI=1S/C17H11BrClNO2S/c1-22-12-3-4-13-11(9-12)8-10(17(19)20-13)2-5-14(21)15-6-7-16(18)23-15/h2-9H,1H3/b5-2+
InChIKey RPIKDKFYPMTERL-GORDUTHDSA-N
Mol Weight 408.7 g/mol
Molecular Formula C17H11BrClNO2S
Exact Mass 406.93824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ad5Ml2oiAFf
Name (2E)-3-(2-Chloro-6-methoxyquinolin-3-yl)-1-(5-bromothien-2-yl)prop-2-en-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H11BrClNO2S
InChI InChI=1S/C17H11BrClNO2S/c1-22-12-3-4-13-11(9-12)8-10(17(19)20-13)2-5-14(21)15-6-7-16(18)23-15/h2-9H,1H3/b5-2+
InChIKey RPIKDKFYPMTERL-GORDUTHDSA-N
Molecular Weight 408.697 g/mol
SMILES c1(nc2c(cc1\C=C\C(c1sc(Br)cc1)=O)cc(cc2)OC)Cl
SPLASH splash10-00di-0009100000-06d5539996e02b12f1d3
Source of Spectrum E1-58-305-2j
Synonyms (E)-1-(5-bromo-2-thiophenyl)-3-(2-chloro-6-methoxy-3-quinolinyl)-2-propen-1-one (E)-1-(5-bromothiophen-2-yl)-3-(2-chloro-6-methoxyquinolin-3-yl)prop-2-en-1-one (E)-1-(5-bromanylthiophen-2-yl)-3-(2-chloranyl-6-methoxy-quinolin-3-yl)prop-2-en-1-one
Wiley ID 1661814